1. Photochemical reaction mechanism
2. Theoretical design of photoelectric functional materials

2001.09-2006.06 Beijing Normal University, Physical Chemistry, Doctor of Science
1997.09-2001.07 Beijing Normal University, Bachelor of Science, Chemical Education

2018.07-present School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Professor
2013.02-2018.06 Associate Professor, School of Chemistry and Chemical Engineering, Beijing Institute of Technology
2008.05-2012.11 Postdoctoral Fellow, Department of Chemistry, University of Girona, Spain
2006.07-2008.02 Post-Doctoral Fellow, Department of Physics and Materials Science, City University of Hong Kong

1. H. Y. Zhu, Q. S. Li*. Understanding of photo-induced reversible rearrangement from borepin to borirane. Chem. Eur. J. 2022, 28, e202201360.
2. W. Y. Zhang, Q. S. Li*, Z. S. Li*. Atomistic mechanism of surface-defect passivation: toward stable and efficient perovskite solar cells. J. Phys. Chem. Lett. 2022, 13, 6686.
3. J. Yang, W. L. Ding, Q. S. Li*, Z. S. Li*. Theoretical study of non-fullerene acceptors using end-capped groups with different electron-withdrawing abilities toward Efficient Organic Solar Cells. J. Phys. Chem. Lett. 2022, 13, 916.
4. J. Yang, X. Wu, Q. S. Li*, Z. S. Li*. Boron-based non-fullerene small molecule acceptors via nitrogen substitution: a theoretical study. Mater. Adv. 2022, 3, 3229.
5. J. Yang, Q. S. Li*, Z. S. Li*. Theoretical design of asymmetric A–D1A’D2–A type non-fullerene acceptors for organic solar cells. Phys. Chem. Chem. Phys. 2021, 23, 12321.
6. W. Y. Zhang, Q. S. Li*, Z. S. Li*. Understanding the surface passivation effects of Lewis base in perovskite solar cells. Appl. Surf. Sci. 2021, 563, 150267.
7. R. Zhu, Q. S. Li*, Z. S. Li*. Molecular engineering of hexaazatriphenylene derivatives toward more efficient electron-transporting materials for inverted perovskite solar cell. ACS Appl. Mater. Interfaces. 2020, 12, 38222.
8. J. Yang, Q. S. Li*, Z. S. Li*. End-capped group manipulation of indacenodithienothiophene-based non-fullerene small molecule acceptors for efficient organic solar cells. Nanoscale 2020, 12, 17795.
9. X. Y. Du, Q. S. Li*. Theoretical study on photoisomerization mechanisms of diphenyl-substituted N,C-chelate organoboron compounds. Chem. Eur. J. 2020, 26, 12891.
10. H. Y. Zhu, Q. S. Li*. Insights into the photoinduced isomerization mechanisms of a N,C–chelate organoboron compound: a theoretical study. ChemPhysChem 2020, 21, 510.
11. R. Zhu, Q. S. Li*, Z. S. Li*. Introducing pyridyl into electron transport materials plays a key role in improving electron mobility and interface properties for inverted perovskite solar cells. J. Mater. Chem. A 2019, 7, 16304.
12. F. P. Li, H. Y. Zhu, Q. S. Li*, Z. S. Li*. Theoretical study on the regioselective
photoisomerization of asymmetric N,C-chelate organoboron compounds. Phys. Chem. Chem. Phys. 2019, 21, 8376.
13. W. L. Ding, X. L. Peng, G. L. Cui, Z. S. Li*, L. Blancafort*, Q. S. Li*. Potential-energy surface and dynamics simulation of THBDBA: an annulated tetraphenylethene derivative combining aggregation-induced emission and switch behavior. ChemPhotoChem 2019, 3, 814.
14. R. Zhu, Q. S. Li*, Z. S. Li*. Nitrogen substitution improves the mobility and stability of electron transport materials for inverted perovskite solar cells. Nanoscale 2018, 10, 17873.
15. J. Bai, B. Lu, Q. Han*, Q. S. Li*, L. Qu*. (111) Facets-oriented Au-decorated carbon nitride nanoplatelets for visible-light-driven overall water splitting. ACS Appl. Mater. Interfaces. 2018, 10, 38066.
16. Y. L. Wang, Q. S. Li*, Z. S. Li*. Effect of pi-bridge units on properties of A-pi-D-pi-A-type nonfullerene acceptors for organic solar cells. Phys. Chem. Chem. Phys. 2018, 20, 14200.
17. X. L. Peng, A. Migani, Q. S. Li*, Z. S. Li, L. Blancafort*. Theoretical study of non-Hammett vs. Hammett behaviour in the thermolysis and photolysis of arylchlorodiazirines. Phys. Chem. Chem. Phys. 2018, 20, 1181.
18. S. K. Mellerup, C. Li, J. Radtke, X. Wang, N. Wang*, Q. S. Li*, S. Wang*. Photochemical generation of chiral N,B,X-heterocycles by heteroaromatic C−X bond scission (X=S, O) and boron insertion. Angew. Chem. Int. Ed. 2018, 57, 9634.
19. S. Wang*, K. Yuan, M. F. Hu, X. Wang, T. Peng, N. Wang*, Q. S. Li*. Cleavage of unstrained C-C bonds in acenes by boron and light: transformation of naphthalene into benzoborepin. Angew. Chem. Int. Ed. 2018, 57, 1073.
20. D. Yang, S. K. Mellerup, J. B. Peng, X. Wang, Q. S. Li*, S. Wang*. Substituent directed phototransformations of BN-heterocycles: elimination vs isomerization via selective B-C bond cleavage. J. Am. Chem. Soc. 2016, 138, 11513.